tert-butyl (2S)-2-(furan-2-yl)piperidine-1-carboxylate

C14H21NO3 — CID 124500862

IUPACtert-butyl (2S)-2-(furan-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@H]1c1ccco1
InChIInChI=1S/C14H21NO3/c1-14(2,3)18-13(16)15-9-5-4-7-11(15)12-8-6-10-17-12/h6,8,10-11H,4-5,7,9H2,1-3H3/t11-/m0/s1
InChIKeyXFMRBFGFKMIXOX-NSHDSACASA-N
MW251.33 g/mol
LogP3.74
Rot. Bonds1

About tert-butyl (2S)-2-(furan-2-yl)piperidine-1-carboxylate

tert-butyl (2S)-2-(furan-2-yl)piperidine-1-carboxylate (PubChem CID 124500862) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is tert-butyl (2S)-2-(furan-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-(furan-2-yl)piperidine-1-carboxylate
PubChem CID124500862
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nametert-butyl (2S)-2-(furan-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@H]1c1ccco1
InChIInChI=1S/C14H21NO3/c1-14(2,3)18-13(16)15-9-5-4-7-11(15)12-8-6-10-17-12/h6,8,10-11H,4-5,7,9H2,1-3H3/t11-/m0/s1
InChIKeyXFMRBFGFKMIXOX-NSHDSACASA-N
XLogP3.74
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone
CID 124500835
[(2S)-2-(furan-2-yl)azepan-1-yl]-pyrrolidin-1-ylmethanone
CID 95728453
ditert-butyl (2S)-5-(furan-2-yl)pyrrolidine-1,2-dicarboxylate
CID 57189785
tert-butyl 2-[1-(furan-2-yl)ethoxymethyl]piperidine-1-carboxylate
CID 71633671
tert-butyl (2R)-2-[[(1R)-1-(furan-2-yl)ethoxy]methyl]piperidine-1-carboxylate
CID 97175846
tert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate
CID 10999368
4-[2-(furan-2-yl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674179
4-[(2S)-2-(furan-2-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 124701060
tert-butyl (2S)-2-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]piperidine-1-carboxylate
CID 97175699
tert-butyl 2-(2-methylphenyl)pyrrolidine-1-carboxylate;ethane
CID 144843357
1-[2-(furan-2-yl)pyrrolidin-1-yl]prop-2-en-1-one
CID 51346068
tert-butyl 2-[4-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 102106848

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(furan-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-(furan-2-yl)piperidine-1-carboxylate (CID 124500862) is tert-butyl (2S)-2-(furan-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-(furan-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-(furan-2-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC[C@H]1c1ccco1.
What is the InChIKey of tert-butyl (2S)-2-(furan-2-yl)piperidine-1-carboxylate?
The InChIKey is XFMRBFGFKMIXOX-NSHDSACASA-N. The full InChI is InChI=1S/C14H21NO3/c1-14(2,3)18-13(16)15-9-5-4-7-11(15)12-8-6-10-17-12/h6,8,10-11H,4-5,7,9H2,1-3H3/t11-/m0/s1.
What are the key properties of tert-butyl (2S)-2-(furan-2-yl)piperidine-1-carboxylate?
tert-butyl (2S)-2-(furan-2-yl)piperidine-1-carboxylate has a molecular weight of 251.33 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-(furan-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 124500862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).